CAS 633-70-5 2,6-Dibromoanthraquinone (HCID 10959484)

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Basic information

CAS: 633-70-5
Standard SMILES: O=C1c2ccc(Br)cc2C(=O)c2ccc(Br)cc21
InChIKey: JUFYHUWBLXKCJM-UHFFFAOYSA-N
Molecular formula: C14H6Br2O2
Average molar mass: 366 g/mol
Monoisotopic mass: 363.87345363

Names & identifiers

Preferred name: 2,6-Dibromoanthraquinone
IUPAC: 2,6-dibromoanthracene-9,10-dione
English name: 2,6-Dibromoanthraquinone
Molecular formula: C14H6Br2O2
Molecular weight: 366

Names & synonyms

2,6-Dibromoanthraquinone633-70-5DTXSID00449859RefChem:1060237DTXCID804006802,6-dibromoanthracene-9,10-dioneC14H6Br2O2MFCD082763449,10-Anthracenedione, 2,6-dibromo-2,6-dibromo-9,10-dihydroanthracene-9,10-dione2,6-dibromanthrachinonSCHEMBL762135

Show more names

2,6-Dibromo-9,10-anthracenedione2,6-Dibromoanthraqui2,6-Dibromonathraquinone2,6-Dibromoanthraquinone>2,6-Dibromoanthracene-9,1-dione9,10-Anthracenedione,2,6-dibroMo-2,6-dibromo-9,10-dione anthracene2,6-Dibromoanthracene-9,10(8aH,10aH)-dione

AKOS015835858CS-W008111SB66745AC-24443AS-19011SY030650DB-020150D3182

Database identifiers

CAS: 633-70-5
PubChem CID: 10959484
DTXSID: DTXSID00449859
Nikkaji: J95.572H

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 346

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 290 °C · 290 °C
Boiling point: 491.8 · 491.8±45.0 °C(Predicted)
Density: 1.911 · 1.911±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: Light yellow to Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
HS Code: 2914.69 · 2914.69.9000

Safety & regulation

Safety data

hs_code: 2914.69.9000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501